3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole

C17H19N5OS — CID 124942382

IUPAC3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2nccs2)n1
InChIInChI=1S/C17H19N5OS/c1-11-16(12(2)23-21-11)17-19-6-5-13(20-17)14-4-3-8-22(14)10-15-18-7-9-24-15/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyAULMEYQEAJLVJD-AWEZNQCLSA-N
MW341.44 g/mol
LogP3.54
Rot. Bonds4

About 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole (PubChem CID 124942382) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
PubChem CID124942382
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2nccs2)n1
InChIInChI=1S/C17H19N5OS/c1-11-16(12(2)23-21-11)17-19-6-5-13(20-17)14-4-3-8-22(14)10-15-18-7-9-24-15/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyAULMEYQEAJLVJD-AWEZNQCLSA-N
XLogP3.54
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440
4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110129488
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125011304
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N,N-dimethyl-6-[(2R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 125005171
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 110135347
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
(E)-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 125007040

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole (CID 124942382) is 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2nccs2)n1.
What is the InChIKey of 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The InChIKey is AULMEYQEAJLVJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-16(12(2)23-21-11)17-19-6-5-13(20-17)14-4-3-8-22(14)10-15-18-7-9-24-15/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole has a molecular weight of 341.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 124942382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).